1-(5-Nitro-2-furyl)-1-pentanone
Basic information
- CAS
6975-61-7- Standard SMILES
CCCCC(=O)c1ccc([N+](=O)[O-])o1- InChIKey
WRJRGRSAJDIKAU-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 1-(5-Nitro-2-furyl)-1-pentanone
- IUPAC
- 1-(5-nitrofuran-2-yl)pentan-1-one
- English name
- 1-(5-nitrofuran-2-yl)pentan-1-one
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
1-(5-NITRO-2-FURYL)-1-PENTANONERefChem:426597663-723-61-(5-nitrofuran-2-yl)pentan-1-one6975-61-72-valeryl-5-nitrofuranNSC21615DTXSID50281423NSC 21615NSC-21615AKOS0243282541-Pentanone, 1-(5-nitro-2-furanyl)-
Database identifiers
- CAS
6975-61-7- PubChem CID
- 228591
- DTXSID
DTXSID50281423- EC Number
- 663-723-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 47 · 47-48 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 274.7 · 274.7±20.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H318-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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